| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 52V7K4FR47 |
| EPA CompTox | DTXSID4060107 |
Structure
| InChI Key | DEJPYROXSVVWIE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.05 |
| AlogP | 1.89 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 501-00-8 |
| NORMAN SUSDAT | |
| FDA SRS | 52V7K4FR47 |
| PubChem | 68145 |
CONTENTS
